CABS-dock: RecA

Project name: RecA_ScQL17

Status: done

submitted: 2025-11-13 13:45:05, status changed: 2025-11-13 19:46:33

Project settings

Protein sequence(s)	DENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGLAARMMSQAMRKLAGNLKQSNTLLIFINQTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLL input pdb
Peptide sequence	VQHQLKKHEIAGIVANK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCHHHHCCEECCC

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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in 3Dmol (WebGL)

Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).

Representative conformations

	model_1		Download
	model_2		Download
	model_3		Download
	model_4		Download
	model_5		Download
	model_6		Download
	model_7		Download
	model_8		Download
	model_9		Download
	model_10		Download

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Click the "View" button to load the contact map of appropriate model.

Representative conformations

Contact cutoff (Å)

	model_1	View
	model_2	View
	model_3	View
	model_4	View
	model_5	View
	model_6	View
	model_7	View
	model_8	View
	model_9	View
	model_10	View

Receptor residue	Peptide residue

Receptor residue	Peptide residue

Receptor residue	Peptide residue

Select trajectory from the right panel to display animation in JSmol. Note that it may hangs browser window for few minutes or ever.

Trajectories

	replica_1		Download
	replica_2		Download
	replica_3		Download
	replica_4		Download
	replica_5		Download
	replica_6		Download
	replica_7		Download
	replica_8		Download
	replica_9		Download
	replica_10		Download

Selected model: model_1.pdb (most representative model of the best cluster) download the model

Details about clusters

cluster name	cluster density	average rmsd	max rmsd	number of elements
cluster_1.pdb ( medoid)	36.8492	2.25243	8.54335	83
cluster_2.pdb ( medoid)	27.8983	8.53099	38.9152	238
cluster_3.pdb ( medoid)	21.1151	8.28791	45.7914	175
cluster_4.pdb ( medoid)	12.3084	3.65604	13.1665	45
cluster_5.pdb ( medoid)	12.2821	6.6764	24.9175	82
cluster_6.pdb ( medoid)	9.69292	10.6263	28.2422	103
cluster_7.pdb ( medoid)	8.2893	8.6859	25.8871	72
cluster_8.pdb ( medoid)	7.02349	8.82752	17.8822	62
cluster_9.pdb ( medoid)	6.64935	12.9336	34.2313	86
cluster_10.pdb ( medoid)	2.59886	20.7783	54.7539	54